SCHEMBL16328107

SCHEMBL16328107

CCCc1nn(-c2cc(-n3nc(CCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)OC)cnn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 7/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TERT O14746 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10167755 0.95 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10456879 0.95 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9974655 0.91 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10167753 0.90 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845526 0.87 NPC1 (0.34) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14548633 0.86 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14548543 0.86 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453828 0.85 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL13183216 0.85 MAPT (0.36) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14765505 0.85 NPC1 (0.34) NPC1RAB9AALDH1A1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8348408-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-01-08 — — US disclosed
US-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — US disclosed
US-20110050790-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
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